eRDF Analyser: An interactive GUI for electron reduced density function analysis
Author(s) -
Janaki Shanmugam,
Konstantin B. Borisenko,
YuJen Chou,
Angus I. Kirkland
Publication year - 2017
Publication title -
softwarex
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.528
H-Index - 21
ISSN - 2352-7110
DOI - 10.1016/j.softx.2017.07.001
Subject(s) - analyser , executable , computer science , matlab , software , diffraction , graphical user interface , computational science , optics , physics , operating system
eRDF Analyser is an interactive MATLAB GUI for reduced density function (RDF) or pair distribution function (PDF) analysis of amorphous and polycrystalline materials to study their local structure. It is developed as an integrated tool with an easy-to-use interface that offers a streamlined approach to extract RDF from electron diffraction data without the need for external routines. The software incorporates recent developments in scattering factor parameterisation and an automated fitting routine for the atomic scattering curve. It also features an automated optimisation routine for determination of the position of the centre of diffraction patterns recorded using both central and off-centre locations of the incident beam. It is available in both open source code (MATLAB m-file) and executable form
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